Information card for entry 4322056

Structure parameters

• Formula: C45 H55 Cu5 Gd N18 O24.25
• Calculated formula: C45 H55 Cu5 Gd N18 O24.25
• Title of publication: The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes
• Authors of publication: Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2807 - 2817
• a: 12.657 ± 0.003 Å
• b: 14.833 ± 0.003 Å
• c: 17.707 ± 0.004 Å
• α: 79.65 ± 0.02°
• β: 86.06 ± 0.02°
• γ: 68.69 ± 0.02°
• Cell volume: 3046.6 ± 1.3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.1378
• Weighted residual factors for significantly intense reflections: 0.1289
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No